REMARK  Name = BDB016228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.098  -1.547  -1.903  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -1.937  -1.404  -0.390  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.093  -0.328   0.006  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.400   0.959  -0.329  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -2.693   1.471  -0.545  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.840   2.821  -0.919  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.744   3.665  -1.059  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.471   3.171  -0.819  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -3.917   0.785  -0.431  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.755   1.304  -0.674  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.239  -0.473  -0.050  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.428  -0.801  -0.060  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.282   1.829  -0.445  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -3.197  -1.422   0.439  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.151   1.419  -0.217  0.00  0.00    +0.252 C 
ATOM     16  N   LIG    1        1.354   0.280   0.536  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.511  -0.209   0.821  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        2.039   2.126  -0.686  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.575  -0.310   0.915  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.506  -1.495   1.660  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.671  -2.146   2.078  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.923  -1.617   1.754  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1        4.998  -0.436   1.013  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        3.829   0.213   0.596  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.120  -2.282   2.180  0.00  0.00    +0.099 C 
ATOM     26  N   LIG    1        7.084  -2.825   2.528  0.00  0.00    -0.191 NA
ENDBRANCH  22  25
ENDBRANCH  16  19
ENDBRANCH  13  15
TORSDOF 3